- InChI
- InChI=1S/C21H38O4/c1-3-5-7-8-9-10-11-15-19-25-21(23)17-13-12-16-20(22)24-18-14-6-4-2/h9-10H,3-8,11-19H2,1-2H3/b10-9+
- InChI Key
- GRJYQNCPDVDRDK-MDZDMXLPSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCC=CCCCOC(=O)CCCCC(=O)OCCC
CC - Molecular Weight1
- 354.52
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.0044 | Relay (1.0) Calculated Property | |
| ΔfG° | -414.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.740 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 993.88 | kPa | Joback Calculated Property |
| Inp | 2420.00 | NIST | |
| Tboil | 622.16 | K | Relay (1.0) Calculated Property |
| Tc | 795.23 | K | Relay (1.0) Calculated Property |
| Tfus | 255.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.64; 1088.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.04350e+01 | |||
| Coefficient B | 1.90924e+00 | |||
| Coefficient C | -1.01320e-03 | |||
| Coefficient D | 1.71900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 469.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 672.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 758.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 834.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 901.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 960.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1010.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1052.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1088.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012632; 0.0000584] | Pa×s | [406.01; 688.19] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.41702e+01 | |||
| Coefficient B | 3.04348e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 406.01 | |||
| Temperature range, max. | 688.19 | |||
| η | 0.0012632 | Pa×s | 406.01 | Calculated Property |
| η | 0.0007381 | Pa×s | 437.36 | Calculated Property |
| η | 0.0004634 | Pa×s | 468.72 | Calculated Property |
| η | 0.0003084 | Pa×s | 500.07 | Calculated Property |
| η | 0.0002154 | Pa×s | 531.42 | Calculated Property |
| η | 0.0001565 | Pa×s | 562.77 | Calculated Property |
| η | 0.0001177 | Pa×s | 594.13 | Calculated Property |
| η | 0.0000910 | Pa×s | 625.48 | Calculated Property |
| η | 0.0000722 | Pa×s | 656.83 | Calculated Property |
| η | 0.0000584 | Pa×s | 688.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, dec-4-enyl pentyl ester.
Sources
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